ethyl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxododecylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(dodecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(lauroylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C24H39NO3S/c1-3-5-6-7-8-9-10-11-15-18-21(26)25-23-22(24(27)28-4-2)19-16-13-12-14-17-20(19)29-23/h3-18H2,1-2H3,(H,25,26)